title: Tuning the spin state of iron phthalocyanine by ligand adsorption.
abstract: The future use of single-molecule magnets in applications will require the ability to control and manipulate the spin state and magnetization of the magnets by external means. There are different approaches to this control, one being the modification of the magnets by adsorption of small ligand molecules. In this paper we use iron phthalocyanine supported by an Au(111) surface as a model compound and demonstrate, using x-ray photoelectron spectroscopy and density functional theory, that the spin state of the molecule can be tuned to different values (S ∼ 0, [Formula: see text], 1) by adsorption of ammonia, pyridine, carbon monoxide or nitric oxide on the iron ion. The interaction also leads to electronic decoupling of the iron phthalocyanine from the Au(111) support.
authors.affiliation: Division of Synchrotron Radiation Research, Department of Physics, Lund University, Box 118, SE-221 00 Lund, Sweden.
authors.forename: C
authors.initials: C
authors.lastname: Isvoranu
authors.forename: B
authors.initials: B
authors.lastname: Wang
authors.forename: K
authors.initials: K
authors.lastname: Schulte
authors.forename: E
authors.initials: E
authors.lastname: Ataman
authors.forename: J
authors.initials: J
authors.lastname: Knudsen
authors.forename: J N
authors.initials: JN
authors.lastname: Andersen
authors.forename: M L
authors.initials: ML
authors.lastname: Bocquet
authors.forename: J
authors.initials: J
authors.lastname: Schnadt
mesh_terms: D000042:Absorption; D003198:Computer Simulation; D005296:Ferrous Compounds / Q000737:chemistry*; D007211:Indoles / Q000737:chemistry*; D008024:Ligands; D008422:Materials Testing; D008956:Models, Chemical; D013113:Spin Labels
chemical_list: D005296:Ferrous Compounds; D007211:Indoles; D008024:Ligands; D013113:Spin Labels; C493990:iron phthalocyanine